2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid

C10H15N3O8 — CID 23422761

IUPAC2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15N3O8/c14-6(12-2-8(16)17)1-11-7(15)3-13(4-9(18)19)5-10(20)21/h1-5H2,(H,11,15)(H,12,14)(H,16,17)(H,18,19)(H,20,21)
InChIKeyCAEDZZOCRDNYNE-UHFFFAOYSA-N
MW305.24 g/mol
LogP-3.23
Rot. Bonds10

About 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid

2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid (PubChem CID 23422761) has the molecular formula C10H15N3O8 and a molecular weight of 305.24 g/mol. Its IUPAC name is 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
PubChem CID23422761
Molecular FormulaC10H15N3O8
Molecular Weight305.24 g/mol
Exact Mass305.09
IUPAC Name2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O
InChIInChI=1S/C10H15N3O8/c14-6(12-2-8(16)17)1-11-7(15)3-13(4-9(18)19)5-10(20)21/h1-5H2,(H,11,15)(H,12,14)(H,16,17)(H,18,19)(H,20,21)
InChIKeyCAEDZZOCRDNYNE-UHFFFAOYSA-N
XLogP-3.23
TPSA173.34 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.24
LogP ≤ 5-3.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetyl]amino]acetic acid
CID 23422762
2-[carboxymethyl-[2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl]amino]acetic acid
CID 170732928
2-[2-[carboxymethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]ethyl-[2-(hydroxymethylamino)-2-oxoethyl]amino]acetic acid
CID 71343143
2-[2-[bis(carboxymethyl)amino]ethyl-[2-oxo-2-(2-oxopropylamino)ethyl]amino]acetic acid;iron(2+)
CID 59081063
2-[bis(carboxymethyl)amino]acetic acid
CID 22440005
2-[[2-(diacetylamino)acetyl]amino]acetic acid
CID 87300850
2-[bis(carboxymethyl)amino]acetic acid;cerium
CID 88686592
CID 160559897
CID 160559897
CID 23617736
CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
CID 87731380
2-[[2-(hydroxyamino)acetyl]amino]acetic acid
CID 118448410
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
CID 71301305

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid (CID 23422761) is 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNC(=O)CN(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is CAEDZZOCRDNYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O8/c14-6(12-2-8(16)17)1-11-7(15)3-13(4-9(18)19)5-10(20)21/h1-5H2,(H,11,15)(H,12,14)(H,16,17)(H,18,19)(H,20,21).
What are the key properties of 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 305.24 g/mol, XLogP of -3.23, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[bis(carboxymethyl)amino]acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 23422761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).